(1s 2 2s 2 2p 4 ) 1 S Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.419336 | 1.76874942 |
| 2 | 3p | 4.438041 | -1.00208620 |
| 3 | 4p | 5.452846 | .22553861 |
| 4 | 5p | 17.102237 | -.00425997 |
| 5 | 5p | 2.881905 | .02022511 |
| 6 | 4p | 22.623101 | -.00215948 |
| 7 | 3p | 31.447304 | -.00019730 |
| 8 | 3p | 2.033139 | -.00920923 |
| ORB.ENERGY,a.u. | -3.201200 | ||
| NORM | 1.000000 | < R > | .697576 | < R2 > | .608158 | < 1/R > | 1.880937 | < 1/R**2 > | 4.992876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.044880 | .33719388 |
| 2 | 2s | 4.118115 | -.90172608 |
| 3 | 3s | 3.497915 | -.24429514 |
| 4 | 4s | 5.985682 | .02194596 |
| 5 | 3s | 10.960032 | .01933681 |
| 6 | 5s | 21.716926 | .00083187 |
| 7 | 5s | 3.917725 | .00071244 |
| 8 | 3s | 35.487170 | -.00008915 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .726372 | < R2 > | .626825 | < 1/R > | 1.995881 | < 1/R**2 > | 16.353347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.156074 | .90175681 |
| 2 | 1s | 15.447895 | .09862945 |
| 3 | 2s | 8.250643 | .01759251 |
| 4 | 3s | 12.394456 | -.01539579 |
| 5 | 4s | 19.568230 | .00398716 |
| 6 | 5s | 37.152534 | .00018020 |
| 7 | 5s | 6.428177 | .00070696 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142618 | < R2 > | .027362 | < 1/R > | 10.617909 | < 1/R**2 > | 227.873896 |
Total Energy= -157.42097804 a.u.
Kinetic Energy= 157.05709875 a.u.
Potential Energy= -314.47807679 a.u.
Virial Ratio = -2.00231686